| SpectraBase Compound ID | GKorr1V5PDY |
|---|---|
| InChI | InChI=1S/C9H16O/c1-7(2)5-6-8(3)9(4)10/h5,8H,6H2,1-4H3 |
| InChIKey | GFFWTYGLHZTFHM-UHFFFAOYSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vP0cX6vDLl |
|---|---|
| Name | 3,6-Dimethyl-5-hepten-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-7(2)5-6-8(3)9(4)10/h5,8H,6H2,1-4H3 |
| InChIKey | GFFWTYGLHZTFHM-UHFFFAOYSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(=O)(C(CC=C(C)C)C)C |